4-[2-(1,5-diphenylpyrazol-3-yl)phenoxy]butanoic acid

C25H22N2O3 — CID 71567251

IUPAC4-[2-(1,5-diphenylpyrazol-3-yl)phenoxy]butanoic acid
SMILESO=C(O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H22N2O3/c28-25(29)16-9-17-30-24-15-8-7-14-21(24)22-18-23(19-10-3-1-4-11-19)27(26-22)20-12-5-2-6-13-20/h1-8,10-15,18H,9,16-17H2,(H,28,29)
InChIKeyMRNVIMBQRVDLEC-UHFFFAOYSA-N
MW398.46 g/mol
LogP5.45
Rot. Bonds8

About 4-[2-(1,5-diphenylpyrazol-3-yl)phenoxy]butanoic acid

4-[2-(1,5-diphenylpyrazol-3-yl)phenoxy]butanoic acid (PubChem CID 71567251) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 4-[2-(1,5-diphenylpyrazol-3-yl)phenoxy]butanoic acid.

Molecular Properties

Compound Name4-[2-(1,5-diphenylpyrazol-3-yl)phenoxy]butanoic acid
PubChem CID71567251
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name4-[2-(1,5-diphenylpyrazol-3-yl)phenoxy]butanoic acid
SMILESO=C(O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H22N2O3/c28-25(29)16-9-17-30-24-15-8-7-14-21(24)22-18-23(19-10-3-1-4-11-19)27(26-22)20-12-5-2-6-13-20/h1-8,10-15,18H,9,16-17H2,(H,28,29)
InChIKeyMRNVIMBQRVDLEC-UHFFFAOYSA-N
XLogP5.45
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.46
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[2-(1,5-diphenylpyrazol-3-yl)phenoxy]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bms-309403
CID 16122583
4-[2-[1-(4-Bromophenyl)-5-phenyl-pyrazol-3-yl]phenoxy]butanoic acid
CID 71567380
3-[1-(4-Methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(4-methylphenyl)propanoic acid
CID 10320262
3-[1-(4-Methoxy-phenyl)-5-p-tolyl-1h-pyrazol-3-yl]-2-m-tolyl-propionic acid
CID 22171037
4-[2-[1-(4-Chlorophenyl)-5-phenylpyrazol-3-yl]phenoxy]butanoic acid
CID 71567381
4-[2-[5-Phenyl-1-(4-propan-2-ylphenyl)pyrazol-3-yl]phenoxy]butanoic acid
CID 71567505
4-[2-[1-(3-Chlorophenyl)-5-phenylpyrazol-3-yl]phenoxy]butanoic acid
CID 71567509
5-(4-Ethoxyphenyl)-1-(4-phenoxyphenyl)pyrazole-3-carboxylic acid
CID 127047005
FABP3 inhibitor MF1
CID 131974620
5-(4-Methoxyphenyl)-1,3-diphenyl-1H-pyrazole
CID 14532339
2-(2-Methoxyphenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 15002734
3-[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-2-(2-methoxyphenyl)propanoic acid
CID 44444763

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,5-diphenylpyrazol-3-yl)phenoxy]butanoic acid?
The IUPAC name of 4-[2-(1,5-diphenylpyrazol-3-yl)phenoxy]butanoic acid (CID 71567251) is 4-[2-(1,5-diphenylpyrazol-3-yl)phenoxy]butanoic acid.
What is the SMILES notation for 4-[2-(1,5-diphenylpyrazol-3-yl)phenoxy]butanoic acid?
The canonical SMILES for 4-[2-(1,5-diphenylpyrazol-3-yl)phenoxy]butanoic acid is O=C(O)CCCOc1ccccc1-c1cc(-c2ccccc2)n(-c2ccccc2)n1.
What is the InChIKey of 4-[2-(1,5-diphenylpyrazol-3-yl)phenoxy]butanoic acid?
The InChIKey is MRNVIMBQRVDLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c28-25(29)16-9-17-30-24-15-8-7-14-21(24)22-18-23(19-10-3-1-4-11-19)27(26-22)20-12-5-2-6-13-20/h1-8,10-15,18H,9,16-17H2,(H,28,29).
What are the key properties of 4-[2-(1,5-diphenylpyrazol-3-yl)phenoxy]butanoic acid?
4-[2-(1,5-diphenylpyrazol-3-yl)phenoxy]butanoic acid has a molecular weight of 398.46 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,5-diphenylpyrazol-3-yl)phenoxy]butanoic acid is sourced from PubChem (CID 71567251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).